SCHEMBL1226388

SCHEMBL1226388

CCC(C(=O)O)c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GAA P10253 2/20 0.54
AKR1C3 P42330 5/20 0.47
AKR1C2 P52895 5/20 0.47
AKR1C1 Q04828 1/20 0.46
PTGS1 P23219 1/20 0.46
THRB P10828 1/20 0.44
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
MAPT P10636 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Pyridine SCHEMBL8587529 0.87 LMNA (0.60) LMNAHTTSMN1; SMN2GAATHRB
SCHEMBL1574429 0.85 AKR1C3 (0.58) LMNAGAAAKR1C3AKR1C2AKR1C1
SCHEMBL11003803 0.85 LMNA (0.46) LMNAHTTSMN1; SMN2GAAAKR1C3
SCHEMBL5670246 0.82 LMNA (0.51) LMNAHTTSMN1; SMN2GAATHRB
SCHEMBL2431337 0.82 LMNA (0.51) LMNAHTTSMN1; SMN2GAATHRB
SCHEMBL27318062 0.82 LMNA (0.51) LMNAHTTSMN1; SMN2GAATHRB
SCHEMBL23886634 0.82 CYP2C19 (0.48) LMNAHTTSMN1; SMN2GAAAKR1C3
Hydrochloric Acid SCHEMBL27318556 0.82 LMNA (0.56) LMNAHTTSMN1; SMN2GAATHRB
Hydrochloric Acid SCHEMBL27319426 0.82 LMNA (0.56) LMNAHTTSMN1; SMN2GAATHRB
SCHEMBL1715 0.81 LMNA (0.59) LMNAHTTSMN1; SMN2GAACYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087654-B Preparation method of piperidine-4-butylamine 苏州昊帆生物股份有限公司 2022-12-23 CN claimed
CN-113087654-A Preparation method of piperidine-4-butylamine 苏州昊帆生物股份有限公司 2021-07-09 CN claimed
WO-2004089357-A2 ANTI-FUNGAL FORMULATION OF TRITERPENE AND ESSENTIAL OIL REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2004-10-21 WO claimed
CN-109206570-B Flexible physical split-phase supermolecular dynamic polymer and application thereof 厦门天策材料科技有限公司 2023-04-25 CN disclosed
CN-113087654-B Preparation method of piperidine-4-butylamine 苏州昊帆生物股份有限公司 2022-12-23 CN disclosed
CN-113087654-B Preparation method of piperidine-4-butylamine 苏州昊帆生物股份有限公司 2022-12-23 CN disclosed
CN-108658853-B 4-nitrogen heteroaryl alkanol compound and synthesis method thereof 苏州大学 2021-12-03 CN disclosed
CN-113087654-A Preparation method of piperidine-4-butylamine 苏州昊帆生物股份有限公司 2021-07-09 CN disclosed
CN-113087654-A Preparation method of piperidine-4-butylamine 苏州昊帆生物股份有限公司 2021-07-09 CN disclosed
CN-109206570-A A kind of compliant physical split-phase supermolecule dynamic aggregation object and its application 翁秋梅 2019-01-15 CN disclosed
CN-105492575-A Electronically neutral metal complexes as biological labels RUBIPY SCIENT INC 2016-04-13 CN disclosed
EP-0626957-A1 STYRIL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1994-12-07 EP disclosed
EP-0626939-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1994-12-07 EP disclosed
WO-1994020455-A1 STYRYL DERIVATIVES, THEIR PREPARATION AND USE AS PDE-IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1994-09-15 WO disclosed
WO-1994014800-A1 STYRIL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH LIMITED (GB) 1994-07-07 WO disclosed
WO-1994014742-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH LIMITED (GB) 1994-07-07 WO disclosed
WO-1994010167-A1 TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1994-05-11 WO disclosed
EP-0088128-A4 ANTIINFLAMMATORY AND ANALGETIC 4-PYRIDYLPYRIDAZIN(2H)-3-ONES. DIAMOND SHAMROCK CORP (US) 1984-04-06 EP disclosed
EP-0088128-A1 ANTIINFLAMMATORY AND ANALGETIC 4-PYRIDYLPYRIDAZIN(2H)-3-ONES DIAMOND SHAMROCK CORPORATION (US) 1983-09-14 EP disclosed
WO-1983000863-A1 ANTIINFLAMMATORY AND ANALGETIC 4-PYRIDYLPYRIDAZIN(2H)-3-ONES DIAMOND SHAMROCK CORP (US) 1983-03-17 WO disclosed